SCHEMBL6312388

SCHEMBL6312388

CCc1c(C(=O)O)cnn1-c1ccc2ncn(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.57
HSD11B1 P28845 1/20 0.41
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
MAT2A P31153 1/20 0.36
NOTUM Q6P988 2/20 0.35
KEAP1 Q14145 4/20 0.35
NFE2L2 Q16236 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DYRK1A Q13627 1/20 0.34
SYK P43405 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
FGFR1 P11362 1/20 0.34
CHRNA7 P36544 1/20 0.34
CMA1 P23946 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6312364 0.88 NR4A3 (0.43) NR4A3HSD11B1MAT2ANOTUMALDH1A1
SCHEMBL4461406 0.85 SLC9A1 (0.42) NR4A3HSD11B1MAT2ANOTUMDYRK1A
Hydrochloric Acid SCHEMBL6313424 0.84 SLC9A1 (0.42) NR4A3HSD11B1MAT2ANOTUMDYRK1A
SCHEMBL4461397 0.83 NR4A3 (0.39) NR4A3HSD11B1MAT2ANOTUMDYRK1A
Hydrochloric Acid SCHEMBL6313420 0.82 NR4A3 (0.38) NR4A3HSD11B1MAT2ANOTUMDYRK1A
SCHEMBL6313878 0.77 NR4A3 (0.57) NR4A3HSD11B1ALDH1A1MAPTFGFR1
SCHEMBL6320043 0.77 NR4A3 (0.57) NR4A3HSD11B1MAT2AKEAP1NFE2L2
SCHEMBL6313370 0.77 NR4A3 (0.61) NR4A3HSD11B1ALDH1A1MAPTFGFR1
SCHEMBL6314248 0.75 NR4A3 (0.59) NR4A3HSD11B1KEAP1NFE2L2L3MBTL1
SCHEMBL6313865 0.74 NR4A3 (0.57) NR4A3HSD11B1KEAP1NFE2L2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 NR4A3 2011/4885HSD11B1 576/4885TNKS 781/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.